CAS Num: 007779-66-0
SMILES : O=C(CCCc1ccco1)OCCC(C)C
CHEM   : 2-Furanbutanoic acid, 3-methylbutyl ester
MOL FOR: C13 H20 O3 
MOL WT : 224.30
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  4.32

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  279.77  (Adapted Stein & Brown method)
    Melting Pt (deg C):  47.94  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0035  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.467  (Modified Grain method)
    Subcooled liquid VP: 0.00568 mm Hg (25 deg C, Mod-Grain method)
                       : 0.757 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  6.629
       log Kow used: 4.32 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  13.768 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.73E-005  atm-m3/mole  (7.83E+000 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  1.558E-004 atm-m3/mole  (1.579E+001 Pa-m3/mole)
      VP:   0.0035 mm Hg (source: MPBPVP)
      WS:   6.63 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.32  (KowWin est)
  Log Kaw used:  -2.500  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.820
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8696
   Biowin2 (Non-Linear Model)     :   0.9888
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7689  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6846  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5053
   Biowin6 (MITI Non-Linear Model):   0.5961
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3788
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.757 Pa (0.00568 mm Hg)
  Log Koa (Koawin est  ): 6.820
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.96E-006 
       Octanol/air (Koa) model:  1.62E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000143 
       Mackay model           :  0.000317 
       Octanol/air (Koa) model:  0.00013 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 109.5263 E-12 cm3/molecule-sec
      Half-Life =     0.098 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.172 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.00023 (Junge-Pankow, Mackay avg)
      0.00013 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2029  L/kg (MCI method)
      Log Koc:  3.307       (MCI method)
      Koc    :  1774  L/kg (Kow method)
      Log Koc:  3.249       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  5.317E-002  L/mol-sec
  Kb Half-Life at pH 8:     150.863  days   
  Kb Half-Life at pH 7:       4.130  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.520 (BCF = 331 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.8646 days (HL = 0.1366 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.758 (BCF = 57.26)
   Log BAF Arnot-Gobas method (upper trophic) = 1.758 (BAF = 57.26)
       log Kow used: 4.32 (estimated)

 Volatilization from Water:
    Henry LC:  7.73E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      12.87  hours
    Half-Life from Model Lake :        266  hours   (11.08 days)

 Removal In Wastewater Treatment:
    Total removal:              47.81  percent
    Total biodegradation:        0.44  percent
    Total sludge adsorption:    45.35  percent
    Total to Air:                2.03  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.289           2.34         1000       
   Water     21.3            360          1000       
   Soil      77              720          1000       
   Sediment  1.41            3.24e+003    0          
     Persistence Time: 444 hr